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Compound Detail

CHEMBL427069

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C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/OCC(=O)O)c3csc(N)n3)[C@H]2SC1

Basic Information

ChEMBL ID CHEMBL427069
Phase Preclinical
Structure Type MOL
InChI Key OKBVVJOGVLARMR-VINNURBNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
-0.54
ALogP
10
HBA
4
HBD
184.5
PSA (Ų)
0.23
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H15N5O7S2
MW 453.46
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.05

Data from ChEMBL 36 via Core Engine